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CAS Number: 872091-99-1
5-(2-cyanopropan-2-yl)thiophene-3-carboxylic acid

Structure

 5-(2-cyanopropan-2-yl)thiophene-3-carboxylic acid
Name: 5-(2-cyanopropan-2-yl)thiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 872091991

CAS Registry Number 872091-99-1
Name:
3-?Thiophenecarboxylic acid, 5-?(1-?cyano-?1-?methylethyl)?-
5-(1-Cyano-1-methylethyl)thiophene-3-carboxylic acid

 

Chemical Formula: C9H9NO2S
Exact Mass: 195.04
Molecular Weight: 195.24
m/z: 195.04 (100.0%), 196.04 (9.9%), 197.03 (4.5%), 196.03 (1.2%)

 

InChI:InChI=1S/C9H9NO2S/c1-9(2,5-10)7-3-6(4-13-7)8(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:QCPIGVXMSVRBKO-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C#N)C1=CC(=CS1)C(=O)O

Specification

98%
References

PCT Int. Appl. (2006), WO 2006067445 A2 20060629.                                  

PCT Int. Appl. (2006), WO 2006067446 A1 20060629. 
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